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canSAR837586
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NAMES
    SMILES
    CC(CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)OC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
    InChI
    InChI=1S/C42H60N2O8S/c1-27(18-25-50-34-35(44(47)52-43-34)53(48,49)28-12-10-9-11-13-28)51-36(46)42-23-21-37(2,3)26-30(42)29-14-15-32-39(6)19-17-33(45)38(4,5)31(39)16-20-41(32,8)40(29,7)22-24-42/h9-14,27,30-33,45H,15-26H2,1-8H3/t27?,30-,31-,32+,33-,39-,40+,41+,42-/m0/s1
    MOLECULAR FORMULA
    C42H60N2O8S
    CROSS REFERENCES
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    canSAR837586

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 752.41
    AlogP 8.00
    HBond donors 1
    HBond acceptors 10
    Atoms 113
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR837586.